N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide

C21H28N2O3S — CID 109065512

IUPACN-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-5-6-14-23(4)21(24)18-8-7-9-20(15-18)27(25,26)22-19-12-10-17(11-13-19)16(2)3/h7-13,15-16,22H,5-6,14H2,1-4H3
InChIKeyXBZRQLBQXVKDPR-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.48
Rot. Bonds8

About N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide

N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide (PubChem CID 109065512) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
PubChem CID109065512
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C21H28N2O3S/c1-5-6-14-23(4)21(24)18-8-7-9-20(15-18)27(25,26)22-19-12-10-17(11-13-19)16(2)3/h7-13,15-16,22H,5-6,14H2,1-4H3
InChIKeyXBZRQLBQXVKDPR-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-butyl-3-[(3-chloro-4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109065518
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-butyl-N-methylbenzamide
CID 32904387
3-N-butyl-3-N-methyl-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056374
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-(2-methylpropyl)benzamide
CID 134058784
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide (CID 109065512) is N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
The InChIKey is XBZRQLBQXVKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-6-14-23(4)21(24)18-8-7-9-20(15-18)27(25,26)22-19-12-10-17(11-13-19)16(2)3/h7-13,15-16,22H,5-6,14H2,1-4H3.
What are the key properties of N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide?
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109065512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).